T08
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O02 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O03 | sing | 1.43Å | 1.43Å | |
| O03 | C4 | sing | 1.36Å | 1.37Å | |
| C4 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.49Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C5A | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | sing | 1.51Å | 1.50Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C23 | C21 | sing | 1.53Å | 1.51Å | |
| C18 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | O04 | sing | 1.43Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | O04 | sing | 1.36Å | 1.37Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C24 | sing | 1.53Å | 1.53Å | |
| C15 | C25 | sing | 1.51Å | 1.50Å | |
| C20 | O05 | sing | 1.43Å | 1.43Å | |
| O05 | H1 | sing | 0.97Å | 0.95Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.08Å | 1.08Å | |
| C5A | H27 | sing | 1.09Å | 1.10Å | |
| C5A | H28 | sing | 1.09Å | 1.10Å | |
| C5A | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.08Å | 1.08Å | |
| C9 | H31 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C2 | H34 | sing | 1.09Å | 1.10Å | |
| O02 | H35 | sing | 0.97Å | 0.95Å | |
| C1 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| O01 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C1 | C2 | 104.9° | 109.4° |
| O01 | C1 | H36 | 110.6° | 109.5° |
| O01 | C1 | H37 | 110.6° | 109.4° |
| C1 | O01 | H38 | 109.5° | 114.0° |
| C1 | C2 | O02 | 109.7° | 109.4° |
| C1 | C2 | C3 | 109.3° | 109.5° |
| C1 | C2 | H34 | 108.1° | 109.5° |
| C2 | C1 | H36 | 110.6° | 109.5° |
| C2 | C1 | H37 | 110.6° | 109.4° |
| O02 | C2 | C3 | 112.5° | 109.5° |
| O02 | C2 | H34 | 109.1° | 109.4° |
| C2 | O02 | H35 | 109.5° | 114.1° |
| C2 | C3 | O03 | 112.9° | 109.5° |
| C2 | C3 | H32 | 108.6° | 109.5° |
| C2 | C3 | H33 | 108.6° | 109.5° |
| C3 | C2 | H34 | 107.9° | 109.5° |
| C3 | O03 | C4 | 114.4° | 116.9° |
| O03 | C3 | H32 | 108.6° | 109.5° |
| O03 | C3 | H33 | 108.6° | 109.4° |
| O03 | C4 | C9 | 120.2° | 120.1° |
| O03 | C4 | C5 | 121.0° | 120.0° |
| C9 | C4 | C5 | 118.8° | 119.9° |
| C4 | C9 | C8 | 120.1° | 119.9° |
| C4 | C9 | H31 | 120.0° | 120.1° |
| C4 | C5 | C5A | 120.8° | 120.0° |
| C4 | C5 | C6 | 119.1° | 120.0° |
| C9 | C8 | C7 | 121.5° | 120.1° |
| C9 | C8 | H30 | 119.3° | 120.0° |
| C8 | C9 | H31 | 120.0° | 120.0° |
| C5A | C5 | C6 | 120.1° | 120.0° |
| C5 | C5A | H27 | 109.5° | 109.5° |
| C5 | C5A | H28 | 109.5° | 109.4° |
| C5 | C5A | H29 | 109.5° | 109.5° |
| C5 | C6 | C7 | 120.2° | 120.0° |
| C5 | C6 | H26 | 119.9° | 120.0° |
| C8 | C7 | C6 | 120.3° | 120.1° |
| C8 | C7 | C10 | 120.3° | 120.0° |
| C7 | C8 | H30 | 119.3° | 120.0° |
| C6 | C7 | C10 | 119.3° | 119.9° |
| C7 | C6 | H26 | 119.9° | 120.0° |
| C7 | C10 | C11 | 106.9° | 109.5° |
| C7 | C10 | C13 | 114.1° | 109.4° |
| C7 | C10 | C12 | 110.6° | 109.5° |
| C11 | C10 | C13 | 108.4° | 109.5° |
| C11 | C10 | C12 | 109.5° | 109.5° |
| C10 | C11 | H20 | 109.5° | 109.5° |
| C10 | C11 | H21 | 109.5° | 109.5° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C13 | C10 | C12 | 107.3° | 109.5° |
| C10 | C13 | C18 | 121.8° | 119.9° |
| C10 | C13 | C14 | 118.7° | 119.9° |
| C10 | C12 | H23 | 109.5° | 109.5° |
| C10 | C12 | H24 | 109.5° | 109.5° |
| C10 | C12 | H25 | 109.5° | 109.5° |
| C23 | C21 | C22 | 108.9° | 109.4° |
| C23 | C21 | C20 | 111.4° | 109.5° |
| C23 | C21 | C24 | 108.8° | 109.5° |
| C21 | C23 | H6 | 109.5° | 109.5° |
| C21 | C23 | H7 | 109.5° | 109.5° |
| C21 | C23 | H8 | 109.4° | 109.5° |
| C13 | C18 | C17 | 120.3° | 120.0° |
| C18 | C13 | C14 | 119.5° | 120.1° |
| C13 | C18 | H15 | 119.9° | 120.0° |
| C18 | C17 | C16 | 119.9° | 120.0° |
| C18 | C17 | H14 | 120.1° | 120.0° |
| C17 | C18 | H15 | 119.8° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C13 | C14 | H19 | 119.9° | 119.9° |
| C17 | C16 | C15 | 120.2° | 119.8° |
| C17 | C16 | O04 | 119.9° | 120.1° |
| C16 | C17 | H14 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.8° | 120.0° |
| C14 | C15 | C25 | 119.3° | 120.0° |
| C15 | C14 | H19 | 119.8° | 120.0° |
| C22 | C21 | C20 | 109.0° | 109.5° |
| C22 | C21 | C24 | 108.8° | 109.5° |
| C21 | C22 | H9 | 109.5° | 109.4° |
| C21 | C22 | H10 | 109.4° | 109.5° |
| C21 | C22 | H11 | 109.5° | 109.5° |
| O04 | C19 | C20 | 109.3° | 109.5° |
| C19 | O04 | C16 | 120.2° | 117.0° |
| O04 | C19 | H12 | 109.5° | 109.4° |
| O04 | C19 | H13 | 109.5° | 109.5° |
| C19 | C20 | C21 | 110.2° | 109.5° |
| C19 | C20 | O05 | 107.5° | 109.5° |
| C19 | C20 | H2 | 108.6° | 109.5° |
| C20 | C19 | H12 | 109.5° | 109.5° |
| C20 | C19 | H13 | 109.5° | 109.5° |
| C15 | C16 | O04 | 119.9° | 120.1° |
| C16 | C15 | C25 | 120.9° | 120.0° |
| C20 | C21 | C24 | 109.9° | 109.5° |
| C21 | C20 | O05 | 112.6° | 109.5° |
| C21 | C20 | H2 | 108.3° | 109.5° |
| C21 | C24 | H3 | 109.5° | 109.5° |
| C21 | C24 | H4 | 109.5° | 109.5° |
| C21 | C24 | H5 | 109.4° | 109.5° |
| C15 | C25 | H16 | 109.5° | 109.5° |
| C15 | C25 | H17 | 109.5° | 109.5° |
| C15 | C25 | H18 | 109.5° | 109.5° |
| C20 | O05 | H1 | 109.5° | 114.0° |
| O05 | C20 | H2 | 109.6° | 109.4° |
| H3 | C24 | H4 | 109.4° | 109.5° |
| H3 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C23 | H7 | 109.4° | 109.4° |
| H6 | C23 | H8 | 109.5° | 109.5° |
| H7 | C23 | H8 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.4° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H16 | C25 | H18 | 109.5° | 109.4° |
| H17 | C25 | H18 | 109.4° | 109.4° |
| H20 | C11 | H21 | 109.4° | 109.4° |
| H20 | C11 | H22 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.5° |
| H23 | C12 | H25 | 109.4° | 109.4° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H27 | C5A | H28 | 109.5° | 109.4° |
| H27 | C5A | H29 | 109.5° | 109.5° |
| H28 | C5A | H29 | 109.4° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| H36 | C1 | H37 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C1 | C2 | H36 | 119.3° | 120.0° |
| O01 | C1 | C2 | H37 | 119.3° | 119.9° |
| O01 | C1 | C2 | O02 | 164.6° | 65.0° |
| O01 | C1 | C2 | C3 | 71.6° | 175.0° |
| O01 | C1 | C2 | H34 | 45.7° | 54.9° |
| O01 | C1 | H36 | H37 | 122.2° | 120.0° |
| C1 | C2 | O02 | C3 | 122.0° | 120.0° |
| C1 | C2 | O02 | H34 | 118.3° | 120.0° |
| C1 | C2 | C3 | H34 | 117.4° | 120.1° |
| C1 | C2 | C3 | O03 | 55.3° | 175.0° |
| C1 | C2 | C3 | H32 | 175.8° | 65.0° |
| C1 | C2 | C3 | H33 | 65.2° | 55.1° |
| C1 | C2 | O02 | H35 | 180.0° | 60.0° |
| C2 | C1 | H36 | H37 | 122.1° | 120.0° |
| C2 | C1 | O01 | H38 | 180.0° | 180.0° |
| O02 | C2 | C3 | H34 | 120.5° | 120.0° |
| O02 | C2 | C3 | O03 | 66.9° | 65.0° |
| O02 | C2 | C3 | H32 | 53.6° | 55.0° |
| O02 | C2 | C3 | H33 | 172.6° | 175.0° |
| O02 | C2 | C1 | H36 | 76.1° | 55.0° |
| O02 | C2 | C1 | H37 | 45.3° | 175.0° |
| C2 | C3 | O03 | H32 | 120.5° | 120.0° |
| C2 | C3 | O03 | H33 | 120.5° | 120.0° |
| C2 | C3 | O03 | C4 | 153.2° | 180.0° |
| C2 | C3 | H32 | H33 | 118.4° | 120.0° |
| C3 | C2 | O02 | H35 | 58.1° | 60.0° |
| C3 | C2 | C1 | H36 | 47.7° | 65.0° |
| C3 | C2 | C1 | H37 | 169.1° | 55.1° |
| C3 | O03 | C4 | C9 | 91.7° | 0.0° |
| C3 | O03 | C4 | C5 | 86.4° | 179.7° |
| O03 | C3 | H32 | H33 | 118.4° | 120.0° |
| O03 | C3 | C2 | H34 | 172.7° | 55.0° |
| O03 | C4 | C9 | C5 | 178.2° | 179.8° |
| O03 | C4 | C9 | C8 | 178.3° | 180.0° |
| O03 | C4 | C5 | C5A | 1.6° | 0.1° |
| O03 | C4 | C5 | C6 | 178.1° | 179.9° |
| O03 | C4 | C9 | H31 | 1.7° | 0.0° |
| C4 | O03 | C3 | H32 | 32.7° | 60.0° |
| C4 | O03 | C3 | H33 | 86.3° | 60.0° |
| C4 | C9 | C8 | H31 | 180.0° | 179.9° |
| C9 | C4 | C5 | C5A | 179.7° | 179.7° |
| C9 | C4 | C5 | C6 | 0.1° | 0.2° |
| C4 | C9 | C8 | C7 | 0.5° | 0.0° |
| C4 | C9 | C8 | H30 | 179.5° | 180.0° |
| C5 | C4 | C9 | C8 | 0.1° | 0.2° |
| C4 | C5 | C5A | C6 | 179.6° | 179.9° |
| C4 | C5 | C6 | C7 | 0.9° | 0.1° |
| C4 | C5 | C6 | H26 | 179.1° | 180.0° |
| C4 | C5 | C5A | H27 | 90.2° | 89.9° |
| C4 | C5 | C5A | H28 | 149.8° | 30.0° |
| C4 | C5 | C5A | H29 | 29.8° | 150.1° |
| C5 | C4 | C9 | H31 | 179.8° | 179.7° |
| C9 | C8 | C7 | H30 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 1.3° | 0.3° |
| C9 | C8 | C7 | C10 | 178.8° | 180.0° |
| C5A | C5 | C6 | C7 | 179.5° | 180.0° |
| C5A | C5 | C6 | H26 | 0.6° | 0.1° |
| C5 | C5A | H27 | H28 | 120.0° | 119.9° |
| C5 | C5A | H27 | H29 | 120.0° | 120.0° |
| C5 | C5A | H28 | H29 | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 1.5° | 0.3° |
| C5 | C6 | C7 | H26 | 180.0° | 179.9° |
| C5 | C6 | C7 | C10 | 179.0° | 180.0° |
| C6 | C5 | C5A | H27 | 90.2° | 90.0° |
| C6 | C5 | C5A | H28 | 29.9° | 150.1° |
| C6 | C5 | C5A | H29 | 149.8° | 30.0° |
| C8 | C7 | C6 | C10 | 177.5° | 179.7° |
| C8 | C7 | C10 | C11 | 78.0° | 174.6° |
| C8 | C7 | C10 | C13 | 41.9° | 54.6° |
| C8 | C7 | C10 | C12 | 162.9° | 65.4° |
| C8 | C7 | C6 | H26 | 178.5° | 179.8° |
| C7 | C8 | C9 | H31 | 179.5° | 180.0° |
| C6 | C7 | C10 | C11 | 99.6° | 5.7° |
| C6 | C7 | C10 | C13 | 140.6° | 125.7° |
| C6 | C7 | C10 | C12 | 19.5° | 114.3° |
| C6 | C7 | C8 | H30 | 178.7° | 179.7° |
| C7 | C10 | C11 | C13 | 123.4° | 120.0° |
| C7 | C10 | C11 | C12 | 119.8° | 120.0° |
| C7 | C10 | C13 | C12 | 122.9° | 120.0° |
| C7 | C10 | C13 | C18 | 47.3° | 121.3° |
| C7 | C10 | C13 | C14 | 134.2° | 58.9° |
| C7 | C10 | C11 | H20 | 180.0° | 180.0° |
| C7 | C10 | C11 | H21 | 60.0° | 60.0° |
| C7 | C10 | C11 | H22 | 60.0° | 60.0° |
| C7 | C10 | C12 | H23 | 180.0° | 60.0° |
| C7 | C10 | C12 | H24 | 60.0° | 60.0° |
| C7 | C10 | C12 | H25 | 60.0° | 179.9° |
| C10 | C7 | C6 | H26 | 0.9° | 0.1° |
| C10 | C7 | C8 | H30 | 1.2° | 0.0° |
| C11 | C10 | C13 | C12 | 118.2° | 120.0° |
| C11 | C10 | C13 | C18 | 166.2° | 118.7° |
| C11 | C10 | C13 | C14 | 15.2° | 61.1° |
| C10 | C11 | H20 | H21 | 120.0° | 120.0° |
| C10 | C11 | H20 | H22 | 120.0° | 120.1° |
| C10 | C11 | H21 | H22 | 120.0° | 120.0° |
| C11 | C10 | C12 | H23 | 62.5° | 180.0° |
| C11 | C10 | C12 | H24 | 57.5° | 60.0° |
| C11 | C10 | C12 | H25 | 177.5° | 60.0° |
| C10 | C13 | C18 | C14 | 178.5° | 179.7° |
| C10 | C13 | C18 | C17 | 178.1° | 180.0° |
| C10 | C13 | C14 | C15 | 178.7° | 179.7° |
| C10 | C13 | C18 | H15 | 1.9° | 0.0° |
| C10 | C13 | C14 | H19 | 1.3° | 0.3° |
| C13 | C10 | C11 | H20 | 56.6° | 60.0° |
| C13 | C10 | C11 | H21 | 63.4° | 180.0° |
| C13 | C10 | C11 | H22 | 176.6° | 60.0° |
| C13 | C10 | C12 | H23 | 54.9° | 60.0° |
| C13 | C10 | C12 | H24 | 175.0° | 180.0° |
| C13 | C10 | C12 | H25 | 65.0° | 60.0° |
| C12 | C10 | C13 | C18 | 75.6° | 1.4° |
| C12 | C10 | C13 | C14 | 103.0° | 178.9° |
| C12 | C10 | C11 | H20 | 60.2° | 60.0° |
| C12 | C10 | C11 | H21 | 179.8° | 60.0° |
| C12 | C10 | C11 | H22 | 59.8° | 180.0° |
| C10 | C12 | H23 | H24 | 120.0° | 120.0° |
| C10 | C12 | H23 | H25 | 120.0° | 120.0° |
| C10 | C12 | H24 | H25 | 120.0° | 120.0° |
| C23 | C21 | C22 | C20 | 121.8° | 120.0° |
| C23 | C21 | C22 | C24 | 118.5° | 120.0° |
| C23 | C21 | C20 | C19 | 65.3° | 60.0° |
| C23 | C21 | C20 | C24 | 120.7° | 120.0° |
| C23 | C21 | C20 | O05 | 54.7° | 180.0° |
| C23 | C21 | C20 | H2 | 176.1° | 60.0° |
| C23 | C21 | C24 | H3 | 180.0° | 60.0° |
| C23 | C21 | C24 | H4 | 60.0° | 60.0° |
| C23 | C21 | C24 | H5 | 60.0° | 180.0° |
| C21 | C23 | H6 | H7 | 120.0° | 120.0° |
| C21 | C23 | H6 | H8 | 120.0° | 120.1° |
| C21 | C23 | H7 | H8 | 120.0° | 120.0° |
| C23 | C21 | C22 | H9 | 180.0° | 180.0° |
| C23 | C21 | C22 | H10 | 60.0° | 60.0° |
| C23 | C21 | C22 | H11 | 60.0° | 60.0° |
| C13 | C18 | C17 | H15 | 180.0° | 179.9° |
| C13 | C18 | C17 | C16 | 0.9° | 0.0° |
| C18 | C13 | C14 | C15 | 0.1° | 0.5° |
| C13 | C18 | C17 | H14 | 179.1° | 180.0° |
| C18 | C13 | C14 | H19 | 179.9° | 180.0° |
| C17 | C18 | C13 | C14 | 0.4° | 0.2° |
| C18 | C17 | C16 | H14 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.9° | 0.0° |
| C18 | C17 | C16 | O04 | 180.0° | 179.7° |
| C13 | C14 | C15 | H19 | 180.0° | 179.5° |
| C13 | C14 | C15 | C16 | 0.1° | 0.6° |
| C13 | C14 | C15 | C25 | 179.8° | 179.5° |
| C14 | C13 | C18 | H15 | 179.6° | 179.7° |
| C17 | C16 | C15 | C14 | 0.4° | 0.3° |
| C17 | C16 | O04 | C19 | 56.3° | 0.3° |
| C17 | C16 | C15 | O04 | 179.1° | 179.6° |
| C17 | C16 | C15 | C25 | 179.6° | 179.7° |
| C16 | C17 | C18 | H15 | 179.1° | 179.9° |
| C14 | C15 | C16 | C25 | 179.9° | 179.9° |
| C14 | C15 | C16 | O04 | 179.5° | 180.0° |
| C14 | C15 | C25 | H16 | 90.0° | 90.0° |
| C14 | C15 | C25 | H17 | 150.0° | 30.1° |
| C14 | C15 | C25 | H18 | 30.0° | 150.0° |
| C22 | C21 | C20 | C19 | 54.9° | 60.0° |
| C22 | C21 | C20 | C24 | 119.1° | 120.0° |
| C22 | C21 | C20 | O05 | 175.0° | 60.0° |
| C22 | C21 | C20 | H2 | 63.7° | 180.0° |
| C22 | C21 | C24 | H3 | 61.4° | 180.0° |
| C22 | C21 | C24 | H4 | 58.6° | 60.0° |
| C22 | C21 | C24 | H5 | 178.6° | 60.0° |
| C22 | C21 | C23 | H6 | 180.0° | 60.0° |
| C22 | C21 | C23 | H7 | 60.0° | 60.0° |
| C22 | C21 | C23 | H8 | 60.0° | 180.0° |
| C21 | C22 | H9 | H10 | 120.0° | 120.0° |
| C21 | C22 | H9 | H11 | 120.0° | 120.0° |
| C21 | C22 | H10 | H11 | 120.0° | 120.0° |
| O04 | C19 | C20 | H12 | 120.0° | 120.0° |
| O04 | C19 | C20 | H13 | 119.9° | 120.0° |
| C19 | O04 | C16 | C15 | 124.6° | 180.0° |
| O04 | C19 | C20 | C21 | 161.5° | 175.0° |
| O04 | C19 | C20 | O05 | 75.4° | 65.0° |
| O04 | C19 | C20 | H2 | 43.1° | 55.0° |
| O04 | C19 | H12 | H13 | 120.0° | 120.0° |
| C20 | C19 | O04 | C16 | 175.7° | 180.0° |
| C19 | C20 | C21 | O05 | 120.0° | 120.0° |
| C19 | C20 | C21 | H2 | 118.6° | 120.0° |
| C19 | C20 | C21 | C24 | 174.0° | NaN° |
| C19 | C20 | O05 | H2 | 117.9° | 120.0° |
| C19 | C20 | O05 | H1 | 180.0° | 60.1° |
| C20 | C19 | H12 | H13 | 120.1° | 120.0° |
| C15 | C16 | C17 | H14 | 179.1° | 180.0° |
| C16 | C15 | C25 | H16 | 90.0° | 90.0° |
| C16 | C15 | C25 | H17 | 30.0° | 150.0° |
| C16 | C15 | C25 | H18 | 149.9° | 30.0° |
| C16 | C15 | C14 | H19 | 179.9° | 179.9° |
| O04 | C16 | C15 | C25 | 0.6° | 0.1° |
| C16 | O04 | C19 | H12 | 64.3° | 59.9° |
| C16 | O04 | C19 | H13 | 55.8° | 60.0° |
| O04 | C16 | C17 | H14 | 0.0° | 0.4° |
| C21 | C20 | O05 | H2 | 120.6° | 120.0° |
| C21 | C20 | O05 | H1 | 58.4° | 60.0° |
| C20 | C21 | C24 | H3 | 57.8° | 60.0° |
| C20 | C21 | C24 | H4 | 177.7° | 180.0° |
| C20 | C21 | C24 | H5 | 62.3° | 60.0° |
| C20 | C21 | C23 | H6 | 59.8° | 60.0° |
| C20 | C21 | C23 | H7 | 179.7° | 180.0° |
| C20 | C21 | C23 | H8 | 60.3° | 60.1° |
| C20 | C21 | C22 | H9 | 58.2° | 60.0° |
| C20 | C21 | C22 | H10 | 61.8° | 180.0° |
| C20 | C21 | C22 | H11 | 178.2° | 60.0° |
| C21 | C20 | C19 | H12 | 41.6° | 65.0° |
| C21 | C20 | C19 | H13 | 78.5° | 55.0° |
| C24 | C21 | C20 | O05 | 66.0° | 60.0° |
| C24 | C21 | C20 | H2 | 55.4° | 60.0° |
| C21 | C24 | H3 | H4 | 120.0° | 120.0° |
| C21 | C24 | H3 | H5 | 120.0° | 120.0° |
| C21 | C24 | H4 | H5 | 120.0° | 120.0° |
| C24 | C21 | C23 | H6 | 61.5° | 180.0° |
| C24 | C21 | C23 | H7 | 58.4° | 60.0° |
| C24 | C21 | C23 | H8 | 178.4° | 60.0° |
| C24 | C21 | C22 | H9 | 61.5° | 60.0° |
| C24 | C21 | C22 | H10 | 178.5° | 60.0° |
| C24 | C21 | C22 | H11 | 58.5° | 180.0° |
| C15 | C25 | H16 | H17 | 120.0° | 120.1° |
| C15 | C25 | H16 | H18 | 120.0° | 120.0° |
| C15 | C25 | H17 | H18 | 120.0° | 120.0° |
| C25 | C15 | C14 | H19 | 0.1° | 0.0° |
| O05 | C20 | C19 | H12 | 164.6° | 55.0° |
| O05 | C20 | C19 | H13 | 44.5° | 175.0° |
| H1 | O05 | C20 | H2 | 62.1° | 180.0° |
| H2 | C20 | C19 | H12 | 76.9° | 175.0° |
| H2 | C20 | C19 | H13 | 163.1° | 65.0° |
| H3 | C24 | H4 | H5 | 120.0° | 120.0° |
| H6 | C23 | H7 | H8 | 120.0° | 120.0° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H14 | C17 | C18 | H15 | 0.9° | 0.0° |
| H16 | C25 | H17 | H18 | 120.0° | 119.9° |
| H20 | C11 | H21 | H22 | 120.0° | 120.0° |
| H23 | C12 | H24 | H25 | 120.0° | 119.9° |
| H27 | C5A | H28 | H29 | 120.0° | 120.0° |
| H30 | C8 | C9 | H31 | 0.5° | 0.1° |
| H32 | C3 | C2 | H34 | 66.8° | 175.0° |
| H33 | C3 | C2 | H34 | 52.1° | 65.0° |
| H34 | C2 | O02 | H35 | 61.7° | 180.0° |
| H34 | C2 | C1 | H36 | 165.0° | 175.0° |
| H34 | C2 | C1 | H37 | 73.6° | 65.0° |
| H36 | C1 | O01 | H38 | 60.7° | 60.0° |
| H37 | C1 | O01 | H38 | 60.7° | 60.0° |
